Found 92 hits with Last Name = 'taguchi' and Initial = 'r' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50116105
(3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...)Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)| Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at CRF1 receptor in human IMR32 cells assessed as inhibition of CRF-induced intracellular cAMP accumulation after 30 mins by immu... |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398565
(CHEMBL2179195)Show SMILES CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COCC)cc1OC |(2.51,-41.6,;3.29,-42.93,;4.83,-42.92,;5.59,-41.58,;7.13,-41.58,;7.85,-40.22,;9.39,-40.17,;10.11,-38.82,;9.3,-37.51,;7.76,-37.56,;7.03,-38.92,;7.67,-43.03,;6.79,-44.29,;5.26,-44.32,;4.52,-45.67,;7.72,-45.51,;9.18,-45.01,;10.66,-45.45,;11.53,-44.19,;10.6,-42.96,;9.15,-43.47,;11.4,-46.8,;10.62,-48.12,;9.08,-48.09,;8.28,-49.41,;11.36,-49.46,;12.9,-49.49,;13.65,-50.84,;15.19,-50.87,;15.93,-52.21,;17.47,-52.24,;13.69,-48.17,;12.94,-46.82,;13.74,-45.5,;12.99,-44.16,)| Show InChI InChI=1S/C26H37N3O5S/c1-6-8-11-28(19-9-12-34-13-10-19)24-25(32-5)27-29-20(17-35-26(24)29)23-21(30-3)14-18(16-33-7-2)15-22(23)31-4/h14-15,17,19H,6-13,16H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at CRF1 receptor in human IMR32 cells assessed as inhibition of CRF-induced intracellular cAMP accumulation after 30 mins by immu... |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394516
(CHEMBL2160157)Show SMILES CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(Cl)cc(COC)cc1OC |(3.38,8.07,;2.04,7.32,;2.01,5.78,;3.33,4.99,;4.69,5.72,;.67,5.04,;-.65,5.83,;-2,5.08,;-2.02,3.54,;-3.37,2.79,;-4.69,3.58,;-.7,2.75,;-.73,1.21,;.6,.42,;1.94,1.17,;3.26,.37,;1.96,2.7,;.64,3.5,;.57,-1.12,;1.89,-1.91,;3.24,-1.17,;1.87,-3.45,;.52,-4.2,;.5,-5.74,;1.82,-6.53,;1.8,-8.07,;-.8,-3.41,;-.77,-1.87,;-2.1,-1.08,;-3.44,-1.83,)| Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-9-10-20(29-5)24-17(19)11-15(3)23(26-24)22-18(25)12-16(14-28-4)13-21(22)30-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389532
(CHEMBL2063375)Show SMILES CCN(CCOC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(47.84,-10.28,;49.18,-11.04,;49.18,-12.58,;50.52,-13.35,;50.52,-14.89,;51.86,-15.65,;51.87,-17.19,;47.85,-13.36,;46.52,-12.59,;45.19,-13.36,;45.18,-14.91,;43.85,-15.68,;46.52,-15.67,;46.51,-17.21,;47.85,-17.99,;49.19,-17.21,;50.52,-17.98,;49.19,-15.67,;47.86,-14.91,;47.85,-19.52,;46.51,-20.29,;45.18,-19.52,;43.85,-20.29,;46.51,-21.83,;47.85,-22.6,;47.85,-24.14,;46.52,-24.91,;45.18,-24.14,;49.19,-21.82,;49.18,-20.29,;50.51,-19.51,;51.85,-20.28,)| Show InChI InChI=1S/C26H34N2O4/c1-8-28(11-12-29-4)21-10-9-17(2)25-20(21)13-18(3)26(27-25)24-22(31-6)14-19(16-30-5)15-23(24)32-7/h9-10,13-15H,8,11-12,16H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394527
(CHEMBL2160161)Show SMILES CCN(CC)c1ccc(Cl)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.04,5.73,;2.69,4.99,;1.36,5.77,;1.38,7.31,;2.72,8.07,;.02,5.01,;-1.3,5.79,;-2.64,5.03,;-2.66,3.49,;-4,2.74,;-1.33,2.71,;-1.34,1.17,;-.02,.39,;1.32,1.15,;2.65,.37,;1.34,2.69,;.01,3.47,;-.03,-1.15,;-1.37,-1.91,;-2.7,-1.13,;-4.04,-1.88,;-1.39,-3.45,;-.06,-4.23,;-.07,-5.77,;-1.41,-6.53,;-1.43,-8.07,;1.28,-3.47,;1.3,-1.93,;2.64,-1.17,;3.96,-1.95,)| Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-10-9-18(25)24-17(19)11-15(3)23(26-24)22-20(29-5)12-16(14-28-4)13-21(22)30-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394520
(CHEMBL2160170)Show SMILES CCN(CC)c1ccc(OC)c2nc(c(CC)cc12)-c1c(OC)cc(COC)cc1OC |(4.67,5.76,;3.33,5,;2,5.77,;2.01,7.31,;3.35,8.08,;.67,5.01,;-.66,5.78,;-2,5.02,;-2.01,3.48,;-3.34,2.71,;-4.67,3.49,;-.68,2.7,;-.68,1.16,;.65,.39,;1.98,1.15,;3.32,.38,;4.65,1.15,;1.99,2.69,;.66,3.47,;.64,-1.15,;-.69,-1.92,;-2.03,-1.14,;-3.36,-1.91,;-.7,-3.46,;.63,-4.23,;.62,-5.77,;-.71,-6.54,;-.72,-8.08,;1.97,-3.47,;1.97,-1.93,;3.31,-1.16,;4.64,-1.94,)| Show InChI InChI=1S/C26H34N2O4/c1-8-18-15-19-20(28(9-2)10-3)11-12-21(30-5)26(19)27-25(18)24-22(31-6)13-17(16-29-4)14-23(24)32-7/h11-15H,8-10,16H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394525
(CHEMBL2160164)Show SMILES CCN(CC)c1ccc(C#N)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.59,5.83,;3.28,5.03,;1.94,5.78,;1.92,7.32,;3.25,8.11,;.61,5,;-.73,5.75,;-2.05,4.97,;-2.04,3.43,;-3.36,2.65,;-4.69,1.86,;-.7,2.67,;-.68,1.13,;.66,.38,;1.99,1.16,;3.33,.41,;1.97,2.7,;.63,3.46,;.68,-1.16,;-.65,-1.95,;-1.99,-1.19,;-3.31,-1.97,;-.63,-3.49,;.71,-4.24,;.73,-5.78,;-.6,-6.57,;-.58,-8.11,;2.04,-3.46,;2.02,-1.92,;3.35,-1.13,;4.69,-1.89,)| Show InChI InChI=1S/C25H29N3O3/c1-7-28(8-2)20-10-9-18(14-26)25-19(20)11-16(3)24(27-25)23-21(30-5)12-17(15-29-4)13-22(23)31-6/h9-13H,7-8,15H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394514
(CHEMBL2160159)Show SMILES CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(C)cc1OC |(3.3,6.94,;1.97,6.16,;1.98,4.62,;3.32,3.86,;4.55,4.53,;.65,3.84,;-.69,4.61,;-2.02,3.83,;-2.01,2.29,;-3.34,1.52,;-4.68,2.28,;-.67,1.53,;-.67,-.01,;.67,-.78,;2,,;3.34,-.76,;1.99,1.54,;.66,2.3,;.67,-2.32,;-.66,-3.09,;-1.99,-2.33,;-3.32,-3.1,;-.65,-4.63,;.69,-5.4,;.69,-6.94,;2.02,-4.62,;2.01,-3.08,;3.34,-2.3,;4.68,-3.07,)| Show InChI InChI=1S/C24H30N2O3/c1-8-26(9-2)18-10-11-19(27-5)24-17(18)14-16(4)23(25-24)22-20(28-6)12-15(3)13-21(22)29-7/h10-14H,8-9H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398579
(CHEMBL2179182)Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCCO4)c(OC)nn23)c(OC)c1 |(15.79,-14.95,;15.04,-13.6,;13.5,-13.58,;12.76,-12.23,;11.22,-12.2,;10.47,-10.86,;8.93,-10.83,;8.13,-12.15,;11.26,-9.54,;10.52,-8.19,;11.39,-6.93,;10.46,-5.7,;9.01,-6.22,;7.53,-5.77,;6.99,-4.32,;5.47,-4.08,;4.5,-5.27,;3.05,-5.81,;4.25,-6.79,;7.74,-2.98,;6.8,-1.76,;7.22,-.29,;5.94,.59,;4.73,-.37,;5.25,-1.82,;6.65,-7.03,;5.11,-7.06,;4.37,-8.41,;7.58,-8.26,;9.04,-7.75,;12.8,-9.56,;13.59,-8.25,;15.13,-8.27,;13.55,-10.92,)| Show InChI InChI=1S/C25H33N3O5S/c1-29-14-17-10-20(30-2)22(21(11-17)31-3)19-15-34-25-23(24(32-4)26-28(19)25)27(12-16-7-8-16)13-18-6-5-9-33-18/h10-11,15-16,18H,5-9,12-14H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389539
(CHEMBL2063382)Show SMILES CCN(CC)c1ccc(C)c2nc(c(Cl)cc12)-c1c(OC)cc(COC)cc1OC |(62.06,-27.68,;63.4,-28.45,;63.41,-29.99,;64.74,-30.75,;64.75,-32.29,;62.08,-30.76,;60.74,-30,;59.41,-30.77,;59.41,-32.31,;58.08,-33.08,;60.74,-33.08,;60.74,-34.62,;62.07,-35.39,;63.41,-34.62,;64.75,-35.38,;63.41,-33.08,;62.08,-32.31,;62.08,-36.93,;60.74,-37.7,;59.41,-36.93,;58.07,-37.7,;60.74,-39.24,;62.07,-40.01,;62.08,-41.55,;60.74,-42.32,;59.41,-41.55,;63.41,-39.23,;63.41,-37.69,;64.74,-36.92,;66.07,-37.69,)| Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-10-9-15(3)23-17(19)13-18(25)24(26-23)22-20(29-5)11-16(14-28-4)12-21(22)30-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398566
(CHEMBL2179196)Show SMILES CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(cc1OC)C#N |(24.95,-40.75,;25.72,-42.08,;27.26,-42.07,;28.03,-40.74,;29.57,-40.73,;30.29,-39.37,;31.83,-39.32,;32.55,-37.97,;31.74,-36.66,;30.19,-36.71,;29.46,-38.07,;30.11,-42.18,;29.23,-43.44,;27.69,-43.47,;26.95,-44.82,;30.16,-44.66,;31.62,-44.16,;33.1,-44.6,;33.97,-43.34,;33.04,-42.11,;31.59,-42.62,;33.84,-45.95,;33.05,-47.27,;31.51,-47.24,;30.72,-48.57,;33.8,-48.62,;35.34,-48.64,;36.13,-47.33,;35.38,-45.97,;36.17,-44.66,;37.71,-44.68,;36.09,-49.99,;36.84,-51.33,)| Show InChI InChI=1S/C24H30N4O4S/c1-5-6-9-27(17-7-10-32-11-8-17)22-23(31-4)26-28-18(15-33-24(22)28)21-19(29-2)12-16(14-25)13-20(21)30-3/h12-13,15,17H,5-11H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398587
(CHEMBL2179197 | US8530504, 4)Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOCC4)c(C)nn23)c(OC)c1 |(17.24,-37.02,;16.5,-35.68,;14.96,-35.65,;14.21,-34.3,;12.67,-34.28,;11.93,-32.93,;10.39,-32.91,;9.59,-34.23,;12.71,-31.61,;11.97,-30.27,;12.84,-29.01,;11.92,-27.78,;10.46,-28.29,;8.99,-27.85,;8.44,-26.4,;6.92,-26.15,;5.95,-27.34,;4.51,-27.89,;5.71,-28.86,;9.2,-25.06,;8.41,-23.74,;9.16,-22.4,;8.37,-21.07,;6.83,-21.09,;6.08,-22.44,;6.87,-23.76,;8.11,-29.11,;6.57,-29.14,;9.04,-30.33,;10.5,-29.82,;14.25,-31.64,;15.05,-30.32,;16.58,-30.34,;15,-32.99,)| Show InChI InChI=1S/C26H35N3O4S/c1-17-25(28(13-18-5-6-18)14-19-7-9-33-10-8-19)26-29(27-17)21(16-34-26)24-22(31-3)11-20(15-30-2)12-23(24)32-4/h11-12,16,18-19H,5-10,13-15H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398580
(CHEMBL2179181)Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOC4)c(OC)nn23)c(OC)c1 |(35.84,-54.51,;35.1,-53.16,;33.55,-53.14,;32.81,-51.79,;31.27,-51.76,;30.52,-50.42,;28.98,-50.39,;28.18,-51.71,;31.31,-49.1,;30.57,-47.75,;31.44,-46.49,;30.51,-45.26,;29.06,-45.77,;27.58,-45.33,;27.04,-43.88,;25.52,-43.63,;24.55,-44.82,;23.1,-45.37,;24.3,-46.35,;27.79,-42.54,;26.85,-41.32,;27.27,-39.84,;25.99,-38.98,;24.78,-39.92,;25.3,-41.37,;26.7,-46.59,;25.16,-46.62,;24.42,-47.97,;27.63,-47.81,;29.09,-47.31,;32.85,-49.12,;33.64,-47.81,;35.18,-47.83,;33.6,-50.47,)| Show InChI InChI=1S/C25H33N3O5S/c1-29-13-18-9-20(30-2)22(21(10-18)31-3)19-15-34-25-23(24(32-4)26-28(19)25)27(11-16-5-6-16)12-17-7-8-33-14-17/h9-10,15-17H,5-8,11-14H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398578
(CHEMBL2179183 | US8530504, 27)Show SMILES COCCN(CC1CC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(28.52,-1.59,;26.98,-1.6,;26.23,-2.94,;24.69,-2.96,;23.93,-4.3,;22.41,-4.05,;21.44,-5.25,;19.99,-5.79,;21.19,-6.77,;24.47,-5.75,;23.59,-7.01,;22.06,-7.04,;21.32,-8.39,;24.52,-8.23,;25.98,-7.73,;27.46,-8.17,;28.33,-6.91,;27.4,-5.68,;25.95,-6.19,;28.2,-9.52,;27.42,-10.84,;25.87,-10.81,;25.08,-12.13,;28.16,-12.18,;29.7,-12.21,;30.45,-13.56,;31.99,-13.58,;32.73,-14.93,;30.49,-10.89,;29.74,-9.54,;30.53,-8.23,;32.07,-8.25,)| Show InChI InChI=1S/C23H31N3O5S/c1-27-9-8-25(12-15-6-7-15)21-22(31-5)24-26-17(14-32-23(21)26)20-18(29-3)10-16(13-28-2)11-19(20)30-4/h10-11,14-15H,6-9,12-13H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398582
(CHEMBL2179179)Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCCOC4)c(OC)nn23)c(OC)c1 |(37.2,-35.01,;36.46,-33.66,;34.92,-33.64,;34.17,-32.29,;32.63,-32.26,;31.88,-30.92,;30.35,-30.9,;29.55,-32.21,;32.67,-29.6,;31.93,-28.26,;32.8,-26.99,;31.87,-25.77,;30.42,-26.28,;28.94,-25.83,;28.4,-24.39,;26.88,-24.14,;25.91,-25.33,;24.47,-25.88,;25.66,-26.85,;29.16,-23.04,;28.36,-21.72,;29.12,-20.39,;28.33,-19.06,;26.79,-19.08,;26.04,-20.42,;26.82,-21.74,;28.06,-27.09,;26.53,-27.13,;25.79,-28.48,;28.99,-28.32,;30.45,-27.81,;34.21,-29.63,;35,-28.31,;36.54,-28.33,;34.96,-30.98,)| Show InChI InChI=1S/C26H35N3O5S/c1-30-14-19-10-21(31-2)23(22(11-19)32-3)20-16-35-26-24(25(33-4)27-29(20)26)28(12-17-7-8-17)13-18-6-5-9-34-15-18/h10-11,16-18H,5-9,12-15H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398573
(CHEMBL2179188)Show SMILES CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(2.77,-37.47,;3.55,-38.8,;5.09,-38.79,;5.85,-37.45,;7.39,-37.45,;8.11,-36.09,;9.66,-36.04,;10.38,-34.69,;9.56,-33.38,;8.02,-33.43,;7.29,-34.79,;7.94,-38.9,;7.06,-40.16,;5.52,-40.19,;4.78,-41.54,;7.99,-41.38,;9.45,-40.88,;10.92,-41.32,;11.8,-40.06,;10.87,-38.83,;9.41,-39.34,;11.67,-42.67,;10.88,-43.99,;9.34,-43.96,;8.54,-45.28,;11.62,-45.33,;13.17,-45.36,;13.91,-46.71,;15.46,-46.74,;16.2,-48.08,;13.96,-44.04,;13.21,-42.69,;14,-41.38,;15.54,-41.4,)| Show InChI InChI=1S/C25H35N3O5S/c1-6-7-10-27(18-8-11-33-12-9-18)23-24(32-5)26-28-19(16-34-25(23)28)22-20(30-3)13-17(15-29-2)14-21(22)31-4/h13-14,16,18H,6-12,15H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394521
(CHEMBL2160169)Show SMILES CCN(CC)c1ccc(OC)c2nc(c(Cl)cc12)-c1c(OC)cc(COC)cc1OC |(4.67,5.76,;3.33,5,;2,5.77,;2.01,7.31,;3.35,8.08,;.67,5.01,;-.66,5.78,;-2,5.02,;-2.01,3.48,;-3.34,2.71,;-4.67,3.49,;-.68,2.7,;-.68,1.16,;.65,.39,;1.98,1.15,;3.32,.38,;1.99,2.69,;.66,3.47,;.64,-1.15,;-.69,-1.92,;-2.03,-1.14,;-3.36,-1.91,;-.7,-3.46,;.63,-4.23,;.62,-5.77,;-.71,-6.54,;-.72,-8.08,;1.97,-3.47,;1.97,-1.93,;3.31,-1.16,;4.64,-1.94,)| Show InChI InChI=1S/C24H29ClN2O4/c1-7-27(8-2)18-9-10-19(29-4)23-16(18)13-17(25)24(26-23)22-20(30-5)11-15(14-28-3)12-21(22)31-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398583
(CHEMBL2179178)Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4(F)CCOCC4)c(OC)nn23)c(OC)c1 |(17.48,-35.29,;16.73,-33.94,;15.19,-33.92,;14.44,-32.57,;12.9,-32.54,;12.16,-31.2,;10.62,-31.17,;9.82,-32.49,;12.95,-29.88,;12.21,-28.54,;13.08,-27.27,;12.15,-26.05,;10.7,-26.56,;9.22,-26.11,;8.68,-24.67,;7.16,-24.42,;6.19,-25.61,;4.74,-26.16,;5.94,-27.13,;9.43,-23.32,;8.64,-22,;10.17,-22,;9.39,-20.67,;8.6,-19.34,;7.06,-19.36,;6.32,-20.7,;7.1,-22.02,;8.34,-27.37,;6.81,-27.41,;6.07,-28.76,;9.27,-28.6,;10.73,-28.09,;14.49,-29.91,;15.28,-28.59,;16.81,-28.61,;15.24,-31.26,)| Show InChI InChI=1S/C26H34FN3O5S/c1-31-14-18-11-20(32-2)22(21(12-18)33-3)19-15-36-25-23(24(34-4)28-30(19)25)29(13-17-5-6-17)16-26(27)7-9-35-10-8-26/h11-12,15,17H,5-10,13-14,16H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394527
(CHEMBL2160161)Show SMILES CCN(CC)c1ccc(Cl)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.04,5.73,;2.69,4.99,;1.36,5.77,;1.38,7.31,;2.72,8.07,;.02,5.01,;-1.3,5.79,;-2.64,5.03,;-2.66,3.49,;-4,2.74,;-1.33,2.71,;-1.34,1.17,;-.02,.39,;1.32,1.15,;2.65,.37,;1.34,2.69,;.01,3.47,;-.03,-1.15,;-1.37,-1.91,;-2.7,-1.13,;-4.04,-1.88,;-1.39,-3.45,;-.06,-4.23,;-.07,-5.77,;-1.41,-6.53,;-1.43,-8.07,;1.28,-3.47,;1.3,-1.93,;2.64,-1.17,;3.96,-1.95,)| Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-10-9-18(25)24-17(19)11-15(3)23(26-24)22-20(29-5)12-16(14-28-4)13-21(22)30-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394515
(CHEMBL2160158)Show SMILES CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(cc1OC)C#N |(3.34,3.08,;3.34,4.62,;2.01,5.39,;2.01,6.93,;3.34,7.7,;.67,4.62,;-.66,5.39,;-2,4.62,;-2,3.08,;-3.33,2.32,;-4.67,3.09,;-.67,2.31,;-.67,.77,;.67,0,;2,.77,;3.33,-0,;2,2.31,;.67,3.08,;.67,-1.54,;2,-2.31,;3.33,-1.54,;4.67,-2.31,;2,-3.85,;.66,-4.62,;-.67,-3.85,;-.67,-2.31,;-2,-1.54,;-3.34,-2.3,;.66,-6.16,;.66,-7.7,)| Show InChI InChI=1S/C24H27N3O3/c1-7-27(8-2)18-9-10-19(28-4)24-17(18)11-15(3)23(26-24)22-20(29-5)12-16(14-25)13-21(22)30-6/h9-13H,7-8H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398568
(CHEMBL2179193)Show SMILES CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(Cl)cc(COC)cc1OC |(4.17,-24.41,;5.71,-24.4,;6.47,-23.06,;8.01,-23.06,;8.74,-21.7,;10.28,-21.65,;11,-20.3,;10.19,-18.98,;8.64,-19.04,;7.91,-20.4,;8.56,-24.51,;7.68,-25.77,;6.14,-25.8,;5.4,-27.15,;8.61,-26.99,;10.07,-26.49,;11.55,-26.93,;12.42,-25.67,;11.49,-24.44,;10.04,-24.95,;12.29,-28.28,;13.83,-28.3,;14.62,-26.98,;14.58,-29.65,;13.79,-30.97,;14.53,-32.32,;16.08,-32.34,;16.82,-33.69,;12.25,-30.94,;11.5,-29.6,;9.96,-29.57,;9.16,-30.89,)| Show InChI InChI=1S/C23H30ClN3O4S/c1-5-8-26(16-6-9-31-10-7-16)21-22(30-4)25-27-18(14-32-23(21)27)20-17(24)11-15(13-28-2)12-19(20)29-3/h11-12,14,16H,5-10,13H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398570
(CHEMBL2179191)Show SMILES CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COCC)cc1OC |(4.37,-7.47,;5.91,-7.46,;6.68,-6.13,;8.22,-6.12,;8.94,-4.76,;10.48,-4.71,;11.2,-3.36,;10.39,-2.05,;8.85,-2.1,;8.11,-3.46,;8.76,-7.57,;7.88,-8.83,;6.34,-8.86,;5.6,-10.21,;8.81,-10.06,;10.27,-9.55,;11.75,-9.99,;12.62,-8.73,;11.69,-7.5,;10.24,-8.01,;12.49,-11.34,;11.71,-12.66,;10.16,-12.64,;9.37,-13.96,;12.45,-14.01,;13.99,-14.03,;14.74,-15.38,;16.28,-15.41,;17.02,-16.75,;18.56,-16.78,;14.78,-12.72,;14.03,-11.37,;14.83,-10.05,;16.36,-10.07,)| Show InChI InChI=1S/C25H35N3O5S/c1-6-10-27(18-8-11-33-12-9-18)23-24(31-5)26-28-19(16-34-25(23)28)22-20(29-3)13-17(15-32-7-2)14-21(22)30-4/h13-14,16,18H,6-12,15H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394517
(CHEMBL2160173)Show SMILES COCCN(CC(C)C)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(1.41,9.22,;.07,8.47,;.05,6.93,;1.37,6.14,;1.35,4.6,;2.68,3.82,;4.02,4.57,;5.34,3.78,;4.04,6.11,;.01,3.85,;-1.31,4.64,;-2.66,3.88,;-2.68,2.34,;-4.02,1.59,;-5.34,2.38,;-1.35,1.56,;-1.37,.02,;-.05,-.77,;1.29,-.02,;2.62,-.8,;1.31,1.52,;-.01,2.31,;-.07,-2.31,;-1.41,-3.06,;-2.74,-2.28,;-4.08,-3.03,;-1.43,-4.6,;-.11,-5.39,;-.13,-6.93,;-1.47,-7.68,;-1.49,-9.22,;1.24,-4.64,;1.25,-3.1,;2.6,-2.34,;3.92,-3.13,)| Show InChI InChI=1S/C28H38N2O5/c1-18(2)16-30(11-12-31-4)22-9-10-23(33-6)28-21(22)13-19(3)27(29-28)26-24(34-7)14-20(17-32-5)15-25(26)35-8/h9-10,13-15,18H,11-12,16-17H2,1-8H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394528
(CHEMBL2160160)Show SMILES CCN(CC)c1ccc(F)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(2.67,8.08,;1.34,7.31,;1.34,5.77,;2.67,5,;4,5.77,;0,5.01,;-1.33,5.78,;-2.67,5.01,;-2.67,3.47,;-4,2.7,;-1.33,2.7,;-1.33,1.16,;-0,.39,;1.33,1.15,;2.67,.38,;1.33,2.69,;0,3.47,;-0,-1.15,;-1.34,-1.92,;-2.67,-1.15,;-4,-1.92,;-1.34,-3.46,;-0,-4.23,;-0,-5.77,;-1.34,-6.54,;-1.34,-8.08,;1.33,-3.47,;1.33,-1.93,;2.67,-1.16,;4,-1.93,)| Show InChI InChI=1S/C24H29FN2O3/c1-7-27(8-2)19-10-9-18(25)24-17(19)11-15(3)23(26-24)22-20(29-5)12-16(14-28-4)13-21(22)30-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394516
(CHEMBL2160157)Show SMILES CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(Cl)cc(COC)cc1OC |(3.38,8.07,;2.04,7.32,;2.01,5.78,;3.33,4.99,;4.69,5.72,;.67,5.04,;-.65,5.83,;-2,5.08,;-2.02,3.54,;-3.37,2.79,;-4.69,3.58,;-.7,2.75,;-.73,1.21,;.6,.42,;1.94,1.17,;3.26,.37,;1.96,2.7,;.64,3.5,;.57,-1.12,;1.89,-1.91,;3.24,-1.17,;1.87,-3.45,;.52,-4.2,;.5,-5.74,;1.82,-6.53,;1.8,-8.07,;-.8,-3.41,;-.77,-1.87,;-2.1,-1.08,;-3.44,-1.83,)| Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-9-10-20(29-5)24-17(19)11-15(3)23(26-24)22-18(25)12-16(14-28-4)13-21(22)30-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398585
(CHEMBL2179176)Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOCC4)c(OC)nn23)c(OC)c1 |(33.89,-37.67,;33.14,-36.32,;31.61,-36.3,;30.86,-34.95,;29.32,-34.92,;28.57,-33.58,;27.03,-33.55,;26.24,-34.87,;29.36,-32.26,;28.62,-30.91,;29.49,-29.65,;28.56,-28.42,;27.11,-28.94,;25.63,-28.49,;25.09,-27.05,;23.57,-26.8,;22.6,-27.99,;21.16,-28.53,;22.35,-29.51,;25.85,-25.7,;25.05,-24.38,;25.8,-23.04,;25.02,-21.72,;23.48,-21.74,;22.73,-23.08,;23.51,-24.4,;24.75,-29.75,;23.22,-29.78,;22.48,-31.13,;25.68,-30.97,;27.14,-30.47,;30.9,-32.28,;31.69,-30.97,;33.23,-30.99,;31.65,-33.63,)| Show InChI InChI=1S/C26H35N3O5S/c1-30-15-19-11-21(31-2)23(22(12-19)32-3)20-16-35-26-24(25(33-4)27-29(20)26)28(13-17-5-6-17)14-18-7-9-34-10-8-18/h11-12,16-18H,5-10,13-15H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389527
(CHEMBL2063369)Show SMILES CCCN(CCC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(41.21,8.74,;41.21,7.19,;39.88,6.41,;39.89,4.87,;41.22,4.11,;42.55,4.88,;43.89,4.12,;38.56,4.1,;37.22,4.86,;35.89,4.09,;35.89,2.55,;34.56,1.78,;37.22,1.78,;37.22,.24,;38.55,-.53,;39.89,.24,;41.23,-.52,;39.89,1.78,;38.56,2.55,;38.56,-2.07,;37.22,-2.84,;35.89,-2.07,;34.55,-2.84,;37.22,-4.38,;38.55,-5.15,;38.56,-6.69,;37.22,-7.46,;35.89,-6.69,;39.89,-4.37,;39.89,-2.83,;41.22,-2.06,;42.55,-2.83,)| Show InChI InChI=1S/C27H36N2O3/c1-8-12-29(13-9-2)22-11-10-18(3)26-21(22)14-19(4)27(28-26)25-23(31-6)15-20(17-30-5)16-24(25)32-7/h10-11,14-16H,8-9,12-13,17H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398565
(CHEMBL2179195)Show SMILES CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COCC)cc1OC |(2.51,-41.6,;3.29,-42.93,;4.83,-42.92,;5.59,-41.58,;7.13,-41.58,;7.85,-40.22,;9.39,-40.17,;10.11,-38.82,;9.3,-37.51,;7.76,-37.56,;7.03,-38.92,;7.67,-43.03,;6.79,-44.29,;5.26,-44.32,;4.52,-45.67,;7.72,-45.51,;9.18,-45.01,;10.66,-45.45,;11.53,-44.19,;10.6,-42.96,;9.15,-43.47,;11.4,-46.8,;10.62,-48.12,;9.08,-48.09,;8.28,-49.41,;11.36,-49.46,;12.9,-49.49,;13.65,-50.84,;15.19,-50.87,;15.93,-52.21,;17.47,-52.24,;13.69,-48.17,;12.94,-46.82,;13.74,-45.5,;12.99,-44.16,)| Show InChI InChI=1S/C26H37N3O5S/c1-6-8-11-28(19-9-12-34-13-10-19)24-25(32-5)27-29-20(17-35-26(24)29)23-21(30-3)14-18(16-33-7-2)15-22(23)31-4/h14-15,17,19H,6-13,16H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398581
(CHEMBL2179180)Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCCCO4)c(OC)nn23)c(OC)c1 |(17.31,-54.73,;16.57,-53.39,;15.03,-53.36,;14.28,-52.01,;12.74,-51.99,;12,-50.64,;10.46,-50.62,;9.66,-51.94,;12.78,-49.32,;12.04,-47.98,;12.91,-46.72,;11.99,-45.49,;10.53,-46,;9.06,-45.55,;8.51,-44.11,;6.99,-43.86,;6.02,-45.05,;4.58,-45.6,;5.78,-46.57,;9.27,-42.77,;8.48,-41.45,;9.23,-40.11,;8.44,-38.78,;6.9,-38.8,;6.15,-40.15,;6.94,-41.47,;8.18,-46.82,;6.64,-46.85,;5.9,-48.2,;9.11,-48.04,;10.57,-47.53,;14.32,-49.35,;15.12,-48.03,;16.65,-48.05,;15.07,-50.7,)| Show InChI InChI=1S/C26H35N3O5S/c1-30-15-18-11-21(31-2)23(22(12-18)32-3)20-16-35-26-24(25(33-4)27-29(20)26)28(13-17-8-9-17)14-19-7-5-6-10-34-19/h11-12,16-17,19H,5-10,13-15H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394522
(CHEMBL2160168)Show SMILES CCN(CC)c1ccc(OC)c2nc(c(F)cc12)-c1c(OC)cc(COC)cc1OC |(3.29,8.1,;1.96,7.32,;1.97,5.78,;3.31,5.02,;4.64,5.79,;.64,5,;-.7,5.76,;-2.03,4.98,;-2.02,3.44,;-3.35,2.67,;-4.69,3.43,;-.68,2.68,;-.67,1.14,;.67,.38,;2,1.16,;3.34,.4,;1.99,2.7,;.65,3.46,;.68,-1.16,;-.65,-1.94,;-1.99,-1.18,;-3.32,-1.95,;-.64,-3.48,;.7,-4.24,;.71,-5.78,;-.62,-6.56,;-.61,-8.1,;2.03,-3.46,;2.02,-1.92,;3.35,-1.14,;4.69,-1.9,)| Show InChI InChI=1S/C24H29FN2O4/c1-7-27(8-2)18-9-10-19(29-4)23-16(18)13-17(25)24(26-23)22-20(30-5)11-15(14-28-3)12-21(22)31-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398586
(CHEMBL2177105 | US8530504, 5)Show SMILES COCc1cc(OC)c(-c2c(C)sc3c(N(CC4CC4)CC4CCOCC4)c(C)nn23)c(OC)c1 |(51.97,-36.57,;51.23,-35.23,;49.69,-35.2,;48.94,-33.85,;47.4,-33.83,;46.66,-32.48,;45.12,-32.46,;44.32,-33.78,;47.44,-31.16,;46.7,-29.82,;47.57,-28.56,;49.11,-28.52,;46.65,-27.33,;45.19,-27.84,;43.72,-27.39,;43.17,-25.95,;41.65,-25.7,;40.68,-26.89,;39.24,-27.44,;40.44,-28.41,;43.93,-24.61,;43.14,-23.29,;43.89,-21.95,;43.1,-20.62,;41.56,-20.64,;40.81,-21.99,;41.6,-23.31,;42.84,-28.66,;41.3,-28.69,;43.77,-29.88,;45.23,-29.37,;48.98,-31.19,;49.78,-29.87,;51.31,-29.89,;49.73,-32.54,)| Show InChI InChI=1S/C27H37N3O4S/c1-17-25(29(14-19-6-7-19)15-20-8-10-34-11-9-20)27-30(28-17)26(18(2)35-27)24-22(32-4)12-21(16-31-3)13-23(24)33-5/h12-13,19-20H,6-11,14-16H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389539
(CHEMBL2063382)Show SMILES CCN(CC)c1ccc(C)c2nc(c(Cl)cc12)-c1c(OC)cc(COC)cc1OC |(62.06,-27.68,;63.4,-28.45,;63.41,-29.99,;64.74,-30.75,;64.75,-32.29,;62.08,-30.76,;60.74,-30,;59.41,-30.77,;59.41,-32.31,;58.08,-33.08,;60.74,-33.08,;60.74,-34.62,;62.07,-35.39,;63.41,-34.62,;64.75,-35.38,;63.41,-33.08,;62.08,-32.31,;62.08,-36.93,;60.74,-37.7,;59.41,-36.93,;58.07,-37.7,;60.74,-39.24,;62.07,-40.01,;62.08,-41.55,;60.74,-42.32,;59.41,-41.55,;63.41,-39.23,;63.41,-37.69,;64.74,-36.92,;66.07,-37.69,)| Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-10-9-15(3)23-17(19)13-18(25)24(26-23)22-20(29-5)11-16(14-28-4)12-21(22)30-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398574
(CHEMBL2179187)Show SMILES COCc1cc(OC)c(-c2csc3c(N(CCC4CC4)C4CCOCC4)c(OC)nn23)c(OC)c1 |(48.83,-31.39,;48.08,-30.05,;46.54,-30.02,;45.79,-28.67,;44.25,-28.64,;43.51,-27.3,;41.97,-27.27,;41.17,-28.59,;44.3,-25.98,;43.55,-24.63,;44.42,-23.37,;43.5,-22.14,;42.04,-22.65,;40.57,-22.21,;40.02,-20.76,;38.48,-20.76,;37.71,-19.43,;36.17,-19.44,;34.83,-18.68,;34.84,-20.22,;40.74,-19.4,;42.28,-19.35,;43,-18,;42.19,-16.68,;40.65,-16.74,;39.92,-18.1,;39.68,-23.47,;38.15,-23.5,;37.41,-24.85,;40.62,-24.69,;42.07,-24.19,;45.84,-26,;46.63,-24.69,;48.16,-24.71,;46.58,-27.35,)| Show InChI InChI=1S/C26H35N3O5S/c1-30-15-18-13-21(31-2)23(22(14-18)32-3)20-16-35-26-24(25(33-4)27-29(20)26)28(10-7-17-5-6-17)19-8-11-34-12-9-19/h13-14,16-17,19H,5-12,15H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389527
(CHEMBL2063369)Show SMILES CCCN(CCC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(41.21,8.74,;41.21,7.19,;39.88,6.41,;39.89,4.87,;41.22,4.11,;42.55,4.88,;43.89,4.12,;38.56,4.1,;37.22,4.86,;35.89,4.09,;35.89,2.55,;34.56,1.78,;37.22,1.78,;37.22,.24,;38.55,-.53,;39.89,.24,;41.23,-.52,;39.89,1.78,;38.56,2.55,;38.56,-2.07,;37.22,-2.84,;35.89,-2.07,;34.55,-2.84,;37.22,-4.38,;38.55,-5.15,;38.56,-6.69,;37.22,-7.46,;35.89,-6.69,;39.89,-4.37,;39.89,-2.83,;41.22,-2.06,;42.55,-2.83,)| Show InChI InChI=1S/C27H36N2O3/c1-8-12-29(13-9-2)22-11-10-18(3)26-21(22)14-19(4)27(28-26)25-23(31-6)15-20(17-30-5)16-24(25)32-7/h10-11,14-16H,8-9,12-13,17H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398571
(CHEMBL2179190)Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC(C)C)C4CCOCC4)c(OC)nn23)c(OC)c1 |(49.89,-48.42,;49.15,-47.08,;47.61,-47.05,;46.86,-45.7,;45.32,-45.68,;44.57,-44.33,;43.03,-44.31,;42.23,-45.63,;45.36,-43.01,;44.62,-41.67,;45.49,-40.4,;44.56,-39.17,;43.11,-39.69,;41.63,-39.24,;41.09,-37.79,;39.54,-37.8,;38.77,-36.47,;37.23,-36.47,;39.54,-35.13,;41.81,-36.43,;43.35,-36.39,;44.07,-35.03,;43.26,-33.72,;41.71,-33.77,;40.98,-35.14,;40.75,-40.5,;39.21,-40.54,;38.47,-41.89,;41.68,-41.73,;43.14,-41.22,;46.9,-43.04,;47.69,-41.72,;49.23,-41.74,;47.65,-44.39,)| Show InChI InChI=1S/C25H35N3O5S/c1-16(2)13-27(18-7-9-33-10-8-18)23-24(32-6)26-28-19(15-34-25(23)28)22-20(30-4)11-17(14-29-3)12-21(22)31-5/h11-12,15-16,18H,7-10,13-14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394524
(CHEMBL2160166)Show SMILES CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(3.37,8.06,;2.03,7.31,;2.01,5.77,;3.33,4.98,;4.69,5.72,;.67,5.01,;-.66,5.8,;-2,5.04,;-2.02,3.5,;-3.36,2.75,;-4.69,3.54,;-.69,2.72,;-.71,1.18,;.61,.39,;1.95,1.15,;3.28,.36,;1.97,2.69,;.65,3.47,;.59,-1.15,;-.75,-1.9,;-2.07,-1.11,;-3.42,-1.87,;-.77,-3.44,;.56,-4.23,;.54,-5.77,;-.8,-6.52,;-.82,-8.06,;1.9,-3.47,;1.92,-1.93,;3.26,-1.18,;4.58,-1.96,)| Show InChI InChI=1S/C25H32N2O4/c1-8-27(9-2)19-10-11-20(29-5)25-18(19)12-16(3)24(26-25)23-21(30-6)13-17(15-28-4)14-22(23)31-7/h10-14H,8-9,15H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398575
(CHEMBL2179186)Show SMILES CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(17.83,-21.66,;19.37,-21.66,;20.13,-20.32,;21.67,-20.32,;22.39,-18.95,;23.94,-18.91,;24.66,-17.55,;23.84,-16.24,;22.3,-16.29,;21.57,-17.66,;22.22,-21.76,;21.34,-23.03,;19.8,-23.06,;19.06,-24.41,;22.27,-24.25,;23.73,-23.74,;25.2,-24.19,;26.08,-22.92,;25.15,-21.7,;23.69,-22.21,;25.95,-25.53,;25.16,-26.85,;23.62,-26.83,;22.82,-28.15,;25.9,-28.2,;27.44,-28.23,;28.19,-29.58,;29.73,-29.6,;30.48,-30.95,;28.24,-26.91,;27.49,-25.56,;28.28,-24.24,;29.82,-24.26,)| Show InChI InChI=1S/C24H33N3O5S/c1-6-9-26(17-7-10-32-11-8-17)22-23(31-5)25-27-18(15-33-24(22)27)21-19(29-3)12-16(14-28-2)13-20(21)30-4/h12-13,15,17H,6-11,14H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394514
(CHEMBL2160159)Show SMILES CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(C)cc1OC |(3.3,6.94,;1.97,6.16,;1.98,4.62,;3.32,3.86,;4.55,4.53,;.65,3.84,;-.69,4.61,;-2.02,3.83,;-2.01,2.29,;-3.34,1.52,;-4.68,2.28,;-.67,1.53,;-.67,-.01,;.67,-.78,;2,,;3.34,-.76,;1.99,1.54,;.66,2.3,;.67,-2.32,;-.66,-3.09,;-1.99,-2.33,;-3.32,-3.1,;-.65,-4.63,;.69,-5.4,;.69,-6.94,;2.02,-4.62,;2.01,-3.08,;3.34,-2.3,;4.68,-3.07,)| Show InChI InChI=1S/C24H30N2O3/c1-8-26(9-2)18-10-11-19(27-5)24-17(18)14-16(4)23(25-24)22-20(28-6)12-15(3)13-21(22)29-7/h10-14H,8-9H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394518
(CHEMBL2160171)Show SMILES CCCN(CCC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.01,7.31,;2.67,8.08,;1.34,7.31,;1.34,5.77,;2.67,5,;4,5.77,;5.34,5,;0,5.01,;-1.33,5.78,;-2.67,5.01,;-2.67,3.47,;-4,2.7,;-5.34,3.47,;-1.34,2.7,;-1.34,1.16,;-.01,.39,;1.33,1.15,;2.66,.38,;1.33,2.69,;-0,3.47,;-.01,-1.15,;-1.34,-1.92,;-2.68,-1.15,;-4.01,-1.92,;-1.35,-3.46,;-.01,-4.23,;-.01,-5.77,;-1.35,-6.54,;-1.35,-8.08,;1.32,-3.47,;1.32,-1.93,;2.66,-1.16,;3.99,-1.93,)| Show InChI InChI=1S/C27H36N2O4/c1-8-12-29(13-9-2)21-10-11-22(31-5)27-20(21)14-18(3)26(28-27)25-23(32-6)15-19(17-30-4)16-24(25)33-7/h10-11,14-16H,8-9,12-13,17H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398577
(CHEMBL2179184)Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C4CCOCC4)c(OC)nn23)c(OC)c1 |(48.64,-15.26,;47.9,-13.92,;46.36,-13.89,;45.61,-12.54,;44.07,-12.52,;43.33,-11.17,;41.79,-11.15,;40.99,-12.47,;44.11,-9.85,;43.37,-8.51,;44.24,-7.25,;43.32,-6.02,;41.86,-6.53,;40.39,-6.09,;39.84,-4.64,;38.32,-4.39,;37.35,-5.59,;35.91,-6.13,;37.1,-7.11,;40.56,-3.28,;42.1,-3.23,;42.82,-1.88,;42.01,-.57,;40.47,-.62,;39.74,-1.99,;39.5,-7.35,;37.97,-7.38,;37.23,-8.73,;40.44,-8.57,;41.89,-8.07,;45.65,-9.88,;46.44,-8.57,;47.98,-8.59,;46.4,-11.23,)| Show InChI InChI=1S/C25H33N3O5S/c1-29-14-17-11-20(30-2)22(21(12-17)31-3)19-15-34-25-23(24(32-4)26-28(19)25)27(13-16-5-6-16)18-7-9-33-10-8-18/h11-12,15-16,18H,5-10,13-14H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394525
(CHEMBL2160164)Show SMILES CCN(CC)c1ccc(C#N)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.59,5.83,;3.28,5.03,;1.94,5.78,;1.92,7.32,;3.25,8.11,;.61,5,;-.73,5.75,;-2.05,4.97,;-2.04,3.43,;-3.36,2.65,;-4.69,1.86,;-.7,2.67,;-.68,1.13,;.66,.38,;1.99,1.16,;3.33,.41,;1.97,2.7,;.63,3.46,;.68,-1.16,;-.65,-1.95,;-1.99,-1.19,;-3.31,-1.97,;-.63,-3.49,;.71,-4.24,;.73,-5.78,;-.6,-6.57,;-.58,-8.11,;2.04,-3.46,;2.02,-1.92,;3.35,-1.13,;4.69,-1.89,)| Show InChI InChI=1S/C25H29N3O3/c1-7-28(8-2)20-10-9-18(14-26)25-19(20)11-16(3)24(27-25)23-21(30-5)12-17(15-29-4)13-22(23)31-6/h9-13H,7-8,15H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394518
(CHEMBL2160171)Show SMILES CCCN(CCC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.01,7.31,;2.67,8.08,;1.34,7.31,;1.34,5.77,;2.67,5,;4,5.77,;5.34,5,;0,5.01,;-1.33,5.78,;-2.67,5.01,;-2.67,3.47,;-4,2.7,;-5.34,3.47,;-1.34,2.7,;-1.34,1.16,;-.01,.39,;1.33,1.15,;2.66,.38,;1.33,2.69,;-0,3.47,;-.01,-1.15,;-1.34,-1.92,;-2.68,-1.15,;-4.01,-1.92,;-1.35,-3.46,;-.01,-4.23,;-.01,-5.77,;-1.35,-6.54,;-1.35,-8.08,;1.32,-3.47,;1.32,-1.93,;2.66,-1.16,;3.99,-1.93,)| Show InChI InChI=1S/C27H36N2O4/c1-8-12-29(13-9-2)21-10-11-22(31-5)27-20(21)14-18(3)26(28-27)25-23(32-6)15-19(17-30-4)16-24(25)33-7/h10-11,14-16H,8-9,12-13,17H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394520
(CHEMBL2160170)Show SMILES CCN(CC)c1ccc(OC)c2nc(c(CC)cc12)-c1c(OC)cc(COC)cc1OC |(4.67,5.76,;3.33,5,;2,5.77,;2.01,7.31,;3.35,8.08,;.67,5.01,;-.66,5.78,;-2,5.02,;-2.01,3.48,;-3.34,2.71,;-4.67,3.49,;-.68,2.7,;-.68,1.16,;.65,.39,;1.98,1.15,;3.32,.38,;4.65,1.15,;1.99,2.69,;.66,3.47,;.64,-1.15,;-.69,-1.92,;-2.03,-1.14,;-3.36,-1.91,;-.7,-3.46,;.63,-4.23,;.62,-5.77,;-.71,-6.54,;-.72,-8.08,;1.97,-3.47,;1.97,-1.93,;3.31,-1.16,;4.64,-1.94,)| Show InChI InChI=1S/C26H34N2O4/c1-8-18-15-19-20(28(9-2)10-3)11-12-21(30-5)26(19)27-25(18)24-22(31-6)13-17(16-29-4)14-23(24)32-7/h11-15H,8-10,16H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389532
(CHEMBL2063375)Show SMILES CCN(CCOC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(47.84,-10.28,;49.18,-11.04,;49.18,-12.58,;50.52,-13.35,;50.52,-14.89,;51.86,-15.65,;51.87,-17.19,;47.85,-13.36,;46.52,-12.59,;45.19,-13.36,;45.18,-14.91,;43.85,-15.68,;46.52,-15.67,;46.51,-17.21,;47.85,-17.99,;49.19,-17.21,;50.52,-17.98,;49.19,-15.67,;47.86,-14.91,;47.85,-19.52,;46.51,-20.29,;45.18,-19.52,;43.85,-20.29,;46.51,-21.83,;47.85,-22.6,;47.85,-24.14,;46.52,-24.91,;45.18,-24.14,;49.19,-21.82,;49.18,-20.29,;50.51,-19.51,;51.85,-20.28,)| Show InChI InChI=1S/C26H34N2O4/c1-8-28(11-12-29-4)21-10-9-17(2)25-20(21)13-18(3)26(27-25)24-22(31-6)14-19(16-30-5)15-23(24)32-7/h9-10,13-15H,8,11-12,16H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394524
(CHEMBL2160166)Show SMILES CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(3.37,8.06,;2.03,7.31,;2.01,5.77,;3.33,4.98,;4.69,5.72,;.67,5.01,;-.66,5.8,;-2,5.04,;-2.02,3.5,;-3.36,2.75,;-4.69,3.54,;-.69,2.72,;-.71,1.18,;.61,.39,;1.95,1.15,;3.28,.36,;1.97,2.69,;.65,3.47,;.59,-1.15,;-.75,-1.9,;-2.07,-1.11,;-3.42,-1.87,;-.77,-3.44,;.56,-4.23,;.54,-5.77,;-.8,-6.52,;-.82,-8.06,;1.9,-3.47,;1.92,-1.93,;3.26,-1.18,;4.58,-1.96,)| Show InChI InChI=1S/C25H32N2O4/c1-8-27(9-2)19-10-11-20(29-5)25-18(19)12-16(3)24(26-25)23-21(30-6)13-17(15-28-4)14-22(23)31-7/h10-14H,8-9,15H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394522
(CHEMBL2160168)Show SMILES CCN(CC)c1ccc(OC)c2nc(c(F)cc12)-c1c(OC)cc(COC)cc1OC |(3.29,8.1,;1.96,7.32,;1.97,5.78,;3.31,5.02,;4.64,5.79,;.64,5,;-.7,5.76,;-2.03,4.98,;-2.02,3.44,;-3.35,2.67,;-4.69,3.43,;-.68,2.68,;-.67,1.14,;.67,.38,;2,1.16,;3.34,.4,;1.99,2.7,;.65,3.46,;.68,-1.16,;-.65,-1.94,;-1.99,-1.18,;-3.32,-1.95,;-.64,-3.48,;.7,-4.24,;.71,-5.78,;-.62,-6.56,;-.61,-8.1,;2.03,-3.46,;2.02,-1.92,;3.35,-1.14,;4.69,-1.9,)| Show InChI InChI=1S/C24H29FN2O4/c1-7-27(8-2)18-9-10-19(29-4)23-16(18)13-17(25)24(26-23)22-20(30-5)11-15(14-28-3)12-21(22)31-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398569
(CHEMBL2179192)Show SMILES CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(cc1OC)C#N |(23.92,-9.38,;25.46,-9.38,;26.22,-8.04,;27.76,-8.04,;28.49,-6.67,;30.03,-6.63,;30.75,-5.27,;29.93,-3.96,;28.39,-4.01,;27.66,-5.38,;28.31,-9.48,;27.43,-10.74,;25.89,-10.78,;25.15,-12.13,;28.36,-11.97,;29.82,-11.46,;31.29,-11.91,;32.17,-10.64,;31.24,-9.42,;29.78,-9.93,;32.04,-13.25,;31.25,-14.57,;29.71,-14.55,;28.91,-15.87,;31.99,-15.92,;33.54,-15.95,;34.33,-14.63,;33.58,-13.28,;34.37,-11.96,;35.91,-11.98,;34.28,-17.3,;35.04,-18.64,)| Show InChI InChI=1S/C23H28N4O4S/c1-5-8-26(16-6-9-31-10-7-16)21-22(30-4)25-27-17(14-32-23(21)27)20-18(28-2)11-15(13-24)12-19(20)29-3/h11-12,14,16H,5-10H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389538
(CHEMBL2063381)Show SMILES CCN(CC)c1ccc(C)c2nc(c(F)cc12)-c1c(OC)cc(COC)cc1OC |(48.85,-28.49,;50.19,-29.26,;50.19,-30.8,;51.53,-31.56,;51.53,-33.1,;48.86,-31.57,;47.53,-30.81,;46.2,-31.58,;46.2,-33.12,;44.86,-33.89,;47.53,-33.89,;47.52,-35.43,;48.86,-36.2,;50.2,-35.43,;51.54,-36.19,;50.2,-33.89,;48.87,-33.12,;48.86,-37.74,;47.53,-38.51,;46.19,-37.74,;44.86,-38.5,;47.52,-40.05,;48.86,-40.82,;48.86,-42.36,;47.53,-43.13,;46.19,-42.36,;50.2,-40.04,;50.19,-38.5,;51.52,-37.73,;52.86,-38.5,)| Show InChI InChI=1S/C24H29FN2O3/c1-7-27(8-2)19-10-9-15(3)23-17(19)13-18(25)24(26-23)22-20(29-5)11-16(14-28-4)12-21(22)30-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated... |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50394515
(CHEMBL2160158)Show SMILES CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(cc1OC)C#N |(3.34,3.08,;3.34,4.62,;2.01,5.39,;2.01,6.93,;3.34,7.7,;.67,4.62,;-.66,5.39,;-2,4.62,;-2,3.08,;-3.33,2.32,;-4.67,3.09,;-.67,2.31,;-.67,.77,;.67,0,;2,.77,;3.33,-0,;2,2.31,;.67,3.08,;.67,-1.54,;2,-2.31,;3.33,-1.54,;4.67,-2.31,;2,-3.85,;.66,-4.62,;-.67,-3.85,;-.67,-2.31,;-2,-1.54,;-3.34,-2.3,;.66,-6.16,;.66,-7.7,)| Show InChI InChI=1S/C24H27N3O3/c1-7-27(8-2)18-9-10-19(28-4)24-17(18)11-15(3)23(26-24)22-20(29-5)12-16(14-25)13-21(22)30-6/h9-13H,7-8H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting |
Bioorg Med Chem 20: 6559-78 (2012)
Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50398572
(CHEMBL2179189)Show SMILES COCc1cc(OC)c(-c2csc3c(N(C(C)C)C4CCOCC4)c(OC)nn23)c(OC)c1 |(32.39,-47.8,;31.65,-46.45,;30.11,-46.43,;29.36,-45.08,;27.82,-45.05,;27.07,-43.71,;25.53,-43.68,;24.73,-45,;27.86,-42.39,;27.12,-41.04,;27.99,-39.78,;27.06,-38.55,;25.61,-39.06,;24.13,-38.62,;23.59,-37.17,;22.04,-37.17,;21.28,-38.51,;21.27,-35.84,;24.31,-35.81,;25.85,-35.76,;26.57,-34.41,;25.76,-33.09,;24.21,-33.15,;23.48,-34.51,;23.25,-39.88,;21.71,-39.91,;20.97,-41.26,;24.18,-41.1,;25.64,-40.6,;29.4,-42.41,;30.19,-41.1,;31.73,-41.12,;30.15,-43.76,)| Show InChI InChI=1S/C24H33N3O5S/c1-15(2)26(17-7-9-32-10-8-17)22-23(31-6)25-27-18(14-33-24(22)27)21-19(29-4)11-16(13-28-3)12-20(21)30-5/h11-12,14-15,17H,7-10,13H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay |
J Med Chem 55: 8450-63 (2012)
Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P |
More data for this
Ligand-Target Pair | |
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